2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide

C19H22ClN3O — CID 92573658

IUPAC2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)23-12-10-22(11-13-23)14-18(21)24/h1-9,19H,10-14H2,(H2,21,24)/t19-/m0/s1
InChIKeyUTSUJWHGUFHWKK-IBGZPJMESA-N
MW343.86 g/mol
LogP2.53
Rot. Bonds5

About 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide

2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide (PubChem CID 92573658) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
PubChem CID92573658
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)23-12-10-22(11-13-23)14-18(21)24/h1-9,19H,10-14H2,(H2,21,24)/t19-/m0/s1
InChIKeyUTSUJWHGUFHWKK-IBGZPJMESA-N
XLogP2.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
CID 121489204
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;dihydrochloride
CID 175673427
2-[[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methoxy]acetic acid
CID 169450832
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
1-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-ynyl]-1-hydroxyurea
CID 23381050
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
1-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methoxy]propan-2-one
CID 58692302
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide (CID 92573658) is 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide is NC(=O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide?
The InChIKey is UTSUJWHGUFHWKK-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)23-12-10-22(11-13-23)14-18(21)24/h1-9,19H,10-14H2,(H2,21,24)/t19-/m0/s1.
What are the key properties of 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide?
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide has a molecular weight of 343.86 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 92573658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).